3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

C18H22O5S — CID 15521080

IUPAC3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(OC2CCCC2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H22O5S/c1-18(2)15(12-8-10-14(11-9-12)24(3,20)21)16(17(19)23-18)22-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyQCQWGGMDTWVKQQ-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.10
Rot. Bonds4

About 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one

3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (PubChem CID 15521080) has the molecular formula C18H22O5S and a molecular weight of 350.44 g/mol. Its IUPAC name is 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.

Molecular Properties

Compound Name3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
PubChem CID15521080
Molecular FormulaC18H22O5S
Molecular Weight350.44 g/mol
Exact Mass350.12
IUPAC Name3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
SMILESCC1(C)OC(=O)C(OC2CCCC2)=C1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C18H22O5S/c1-18(2)15(12-8-10-14(11-9-12)24(3,20)21)16(17(19)23-18)22-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3
InChIKeyQCQWGGMDTWVKQQ-UHFFFAOYSA-N
XLogP3.10
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Firocoxib
CID 208910
3-(1-Cyclopropyl-ethoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 9819804
5,5-Dimethyl-3-(1-methylethoxy)-4-(4-(methylsulfonyl)phenyl)-2(5H)-furanone
CID 9840237
5-Ethyl-3-isopropoxy-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
CID 9905875
3-Cyclohexyloxy-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 9925288
MQ2PE7Jmc5
CID 10088506
4-(4-Methanesulfonyl-phenyl)-5,5-dimethyl-3-phenylsulfanyl-5H-furan-2-one
CID 10199429
3-Cyclobutoxy-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 15521081
3-(1-Ethyl-propoxy)-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 17880562
3-sec-Butoxy-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
CID 19361705
sodium 4-[[(7S)-7-ethyl-7-methyl-8-(4-methylsulfonylphenyl)-9-propan-2-yloxy-1,4,6-trioxaspiro[4.4]non-8-en-3-yl]methoxy]-4-oxobutanoate
CID 23698340
sodium 2-[(Z)-[(5S)-5-ethyl-5-methyl-4-(4-methylsulfonylphenyl)-3-propan-2-yloxyfuran-2-ylidene]amino]oxyacetate
CID 23669263

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The IUPAC name of 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one (CID 15521080) is 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
What is the SMILES notation for 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The canonical SMILES for 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is CC1(C)OC(=O)C(OC2CCCC2)=C1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
The InChIKey is QCQWGGMDTWVKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5S/c1-18(2)15(12-8-10-14(11-9-12)24(3,20)21)16(17(19)23-18)22-13-6-4-5-7-13/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one?
3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one has a molecular weight of 350.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one is sourced from PubChem (CID 15521080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).